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19809-87-1 | 1H-Thioxanthene-4-carboxaldehyde, 2,3,5,6,7,8-hexahydro-
CAS No: 19809-87-1 Catalog No: AG002BA5 MDL No:
Product Description
Catalog Number:
AG002BA5
Chemical Name:
1H-Thioxanthene-4-carboxaldehyde, 2,3,5,6,7,8-hexahydro-
CAS Number:
19809-87-1
Molecular Formula:
C14H16OS
Molecular Weight:
232.3412
IUPAC Name:
2,3,5,6,7,8-hexahydro-1H-thioxanthene-4-carbaldehyde
InChI:
InChI=1S/C14H16OS/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)16-14(11)12/h8-9H,1-7H2
InChI Key:
FXZFUISJCLFSGS-UHFFFAOYSA-N
SMILES:
O=CC1=C2SC3=C(C=C2CCC1)CCCC3
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.341g/mol
Monoisotopic Mass:
232.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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